methyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxylate

C10H17NO5S — CID 112731458

IUPACmethyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C2CS(=O)(=O)CC2O)C1
InChIInChI=1S/C10H17NO5S/c1-16-10(13)7-2-3-11(4-7)8-5-17(14,15)6-9(8)12/h7-9,12H,2-6H2,1H3
InChIKeyFMRBMKXZOZZUEM-UHFFFAOYSA-N
MW263.31 g/mol
LogP-1.36
Rot. Bonds2

About methyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxylate

methyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxylate (PubChem CID 112731458) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is methyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxylate
PubChem CID112731458
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Namemethyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C2CS(=O)(=O)CC2O)C1
InChIInChI=1S/C10H17NO5S/c1-16-10(13)7-2-3-11(4-7)8-5-17(14,15)6-9(8)12/h7-9,12H,2-6H2,1H3
InChIKeyFMRBMKXZOZZUEM-UHFFFAOYSA-N
XLogP-1.36
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-1.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxylate (CID 112731458) is methyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(C2CS(=O)(=O)CC2O)C1.
What is the InChIKey of methyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxylate?
The InChIKey is FMRBMKXZOZZUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5S/c1-16-10(13)7-2-3-11(4-7)8-5-17(14,15)6-9(8)12/h7-9,12H,2-6H2,1H3.
What are the key properties of methyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxylate?
methyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxylate has a molecular weight of 263.31 g/mol, XLogP of -1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-hydroxy-1,1-dioxothiolan-3-yl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 112731458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).